5-bromo-2-but-3-ynoxybenzenesulfonamide

C10H10BrNO3S — CID 82915032

IUPAC5-bromo-2-but-3-ynoxybenzenesulfonamide
SMILESC#CCCOc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C10H10BrNO3S/c1-2-3-6-15-9-5-4-8(11)7-10(9)16(12,13)14/h1,4-5,7H,3,6H2,(H2,12,13,14)
InChIKeyJZIWLXBSYUOYGF-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.50
Rot. Bonds4

About 5-bromo-2-but-3-ynoxybenzenesulfonamide

5-bromo-2-but-3-ynoxybenzenesulfonamide (PubChem CID 82915032) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is 5-bromo-2-but-3-ynoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-but-3-ynoxybenzenesulfonamide
PubChem CID82915032
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name5-bromo-2-but-3-ynoxybenzenesulfonamide
SMILESC#CCCOc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C10H10BrNO3S/c1-2-3-6-15-9-5-4-8(11)7-10(9)16(12,13)14/h1,4-5,7H,3,6H2,(H2,12,13,14)
InChIKeyJZIWLXBSYUOYGF-UHFFFAOYSA-N
XLogP1.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
5-bromo-2-(3-imidazol-1-ylpropoxy)benzenesulfonamide
CID 82914402
5-but-3-ynoxyquinoline-8-sulfonamide
CID 103045310
5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 62103329
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
CID 62103693
5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide
CID 82916267

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-but-3-ynoxybenzenesulfonamide?
The IUPAC name of 5-bromo-2-but-3-ynoxybenzenesulfonamide (CID 82915032) is 5-bromo-2-but-3-ynoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-but-3-ynoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-2-but-3-ynoxybenzenesulfonamide is C#CCCOc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-but-3-ynoxybenzenesulfonamide?
The InChIKey is JZIWLXBSYUOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c1-2-3-6-15-9-5-4-8(11)7-10(9)16(12,13)14/h1,4-5,7H,3,6H2,(H2,12,13,14).
What are the key properties of 5-bromo-2-but-3-ynoxybenzenesulfonamide?
5-bromo-2-but-3-ynoxybenzenesulfonamide has a molecular weight of 304.17 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-but-3-ynoxybenzenesulfonamide is sourced from PubChem (CID 82915032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).